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Amyloid Fibril Disruption by Ultrasonic Cavitation: Nonequilibrium Molecular Dynamics Simulations

Alzheimer's disease, one of dementia, is caused by amyloid fibrils of amyloid-β peptides. We performed nonequilibrium molecular dynamics simulations to describe the disruption of the amyloid fibrils by ultrasonic cavitation. A bubble is formed when the pressure is negative. When the pressure becomes positive, the bubble collapses and the jet flow of water disrupts the amyloid fibril.

H. Okumura and S. G. Itoh, J. Am. Chem. Soc. 136 (2014) 10549-10552.